Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations.
نویسندگان
چکیده
A novel methodology is presented for evaluating a dynamic ensemble of oligosaccharide conformations by lanthanide-assisted NMR spectroscopy combined with molecular dynamics (MD) simulations. The results obtained using the GM3 trisaccharide demonstrated that pseudocontact shift measurements offer a valuable experimental tool for the validation of MD simulations of highly flexible biomolecules.
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ورودعنوان ژورنال:
- Chemical communications
دوره 48 39 شماره
صفحات -
تاریخ انتشار 2012